8003-0243 Screening compound: 2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

8003-0243 Screening compound: 2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
8003-0243 Screening compound: 2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0243
2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-0243

Molecular Formula

C15H13F3N2S3 (C15 H13 F3 N2 S3)

Compound Name

2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

CCSCCSc(nc(cc1C(F)(F)F)-c2cccs2)c1C#N

InChI

InChI=1S/C15H13F3N2S3/c1-2-21-6-7-23-14-10(9-19)11(15(16,17)18)8-12(20-14)13-4-3-5-22-13/h3-5,8H,2,6-7H2,1H3

InChI Key

VKMRQVRMIFLLGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-5.83

Polar Surface Area

26.789

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8003-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0243?
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What is the minimum amount of 8003-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0243
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8003-0243 available by request